含能配合物[Mn(DAT)6](ClO4)2的合成、晶体结构、热行为及感度性质

合成了新型含能配合物[Mn(DAT)6](ClO4)2(DAT=1,5-二氨基四唑), 用X射线单晶衍射法测定了其晶体结构. 该晶体属三方晶系, P3c1空间群, a=b=1.18435(17) nm, c=1.3081(3) nm, α=β=90°, γ=120°, V=1.5891(5) nm3, Z=2. 该配合物分子结构单元中有1个Mn2+离子、6个DAT分子和2个ClO4-离子. 由6个DAT分子中的6个N原子与中心Mn2+离子配位形成六配位、非中心对称的畸变八面体结构. 利用元素分析、差示扫描量热分析(DSC)、热重-微分热重分析(TG-DTG)等方法进行了表征, 研究了其感度性能. 研究结果表明, 该配合物对外界刺激具有很高的响应性和危险性.     

新型含能富勒烯衍生物的合成研究

 利用N-甲基甘氨酸、2，4-二硝基苯甲醛和C₆₀反应，合成分离出了含有两个硝基的新型富勒烯吡咯烷衍生物1，并对其工艺条件进行了研究，探讨了反应物剂量比、温度和时间对产物1产率的影响，得到了合成产物1的最佳工艺条件：反应物剂量比为1∶2∶6、温度为95 ℃、反应时间为40 h，此时产物1产率可达到65.8%（以消耗的C₆₀计）。同时用¹H NMR、FT-IR、MS、UV-Vis等光谱手段确定了产物1的分子结构。     

Magnetic nanoparticles used in headspace extraction coupled with DSI-GC-IT/MS for analysis of VOCs in dry Traditional Chinese Medicine

A novel magnetic method using polystyrene modified magnetic nanoparticles to perform thermoheadspace extraction was successfully developed for extraction and preconcentration of volatile organic components in dry Traditional Chinese Medicine(TCM) based on gas chromatography-ion trap/mass spectrometry with a Chromato Probe direct sample introduction device. The dried fruit of Amomum testaceum Ridl. was used as the object TCM. The optimum parameters of headspace magnetic solid-phase extraction were investigated, in which desorption solvent ethyl acetate played a key role in this method,and the headspace extraction temperature of 90℃ and the headspace extraction time of 15 min finally decided. Headspace solid-phase microextraction method was also used to analyze volatile compounds in the TCM to compare with the proposed method. The results show that 60 components were identified totally by two methods; most of the low boiling point chemical compounds are isolated by this new method. In this work, an environmental-friendly and cheap analytical method was established, and a new approach to analyze volatile compounds in dry Traditional Chinese Medicine was also provided.     

The application of the extended negative factor counting method to deal with the electronic energy levels of pig insulin

The quantum-chemical calculation for pig insulin was done by the ENFC method in which the matrix elements were calculated in the ab initio level with the help of a minimal basis. The aqueous solution surrounding insulin was simulated by putting point charges around the residues that have electric charges. The electronic density of states (DOS) of insulin confirmed the conclusions obtained from aperiodic model peptide chains. It is shown that the frontier orbitals of the insulin were mainly localized on those residues which are involved in the expression of biological activity of insulin.     

不同温度下制备的CdTe薄膜对太阳电池光电性能的影响

在不同温度下用近空间升华法（CSS）制备了CdTe多晶薄膜,结合I-V,C-V特性及深能级瞬态谱研究了不同温度制备的CdTe薄膜对CdS/CdTe太阳电池性能的影响.结果表明,制备温度对电池组件的开路电压影响不大,对短路电流和填充因子有影响,CdTe薄膜的深中心对温度和频率的响应基本一致.580℃制备的样品暗饱和电流密度最小,载流子浓度较高,光电特性较好,而且空穴陷阱浓度较低,深中心复合作用较小.在此研究基础上制备出了面积为300 mm×400 mm 关键词： 制备温度 CdTe薄膜 深能级瞬态谱（DLTS） CdS/CdTe太阳电池     

Different influences of Schottky metal on the strain and relative permittivity of barrier layer between AlN/GaN and AlGaN/GaN heterostructure Schottky diodes

Ni/Au Schottky contacts on AlN/GaN and AlGaN/GaN heterostructures are fabricated.Based on the measured current–voltage and capacitance-voltage curves,the polarization sheet charge density and relative permittivity are analyzed and calculated by self-consistently solving Schrdinger’s and Poisson’s equations.It is found that the values of relative permittivity and polarization sheet charge density of AlN/GaN diode are both much smaller than the ones of AlGaN/GaN diode,and also much lower than the theoretical values.Moreover,by fitting the measured forward I–V curves,the extracted dislocations existing in the barrier layer of the AlN/GaN diode are found to be much more than those of the AlGaN/GaN diode.As a result,the conclusion can be made that compared with AlGaN/GaN diode the Schottky metal has an enhanced influence on the strain of the extremely thinner AlN barrier layer,which is attributed to the more dislocations.     

压电半平面梯形夹杂的梯度特征应变问题

针对边界处自由和绝缘以及固定和绝缘两种不同的条件,分别计算分析了均匀和梯度特征应变下梯形夹杂内部和外部诱发产生的弹性场和电场,并且讨论了梯形夹杂角点处的奇异性．最后,计算了平均梯度特征应变为零时梯形夹杂内部产生的平均弹性场和电场．所得结果揭示了基体不同边界条件对诱导场的影响．     

Influence of thermal stress on the characteristic parameters of AlGaN/GaN heterostructure Schottky contacts

Ni Schottky contacts on AlGaN/GaN heterostructures have been fabricated. The samples are then thermally treated in a furnace with N₂ ambient at 600 ^circC for different times (0.5, 4.5, 10.5, 18, 33, 48 and 72 h). Current-voltage (I-V) and capacitance-voltage (C-V) relationships are measured, and Schrödinger's and Poisson's equations are self-consistently solved to obtain the characteristic parameters related to AlGaN/GaN heterostructure Schottky contacts: the two-dimensional electron gas (2DEG) sheet density, the polarization sheet charge density, the 2DEG distribution in the triangle quantum well and the Schottky barrier height for each thermal stressing time. Most of the above parameters reduce with the increase of stressing time, only the parameter of the average distance of the 2DEG from the AlGaN/GaN interface increases with the increase of thermal stressing time. The changes of the characteristic parameters can be divided into two stages. In the first stage the strain in the AlGaN barrier layer is present. In this stage the characteristic parameters change rapidly compared with those in the second stage in which the AlGaN barrier layer is relaxed and no strain is present.     

A Strong Gravity With the Term R2

In this paper,we introduce a square term of the curvature scale R in the strong gravity Lagrange with de-Sitter form,the square term has made the coupling coefficient of strong gravity G_f to decrease,it can get a reasonable strong gravity model and avoid singularity.     

RADIAL SOLUTIONS OF THE DIRAC EQUATION IN A LEMAITRE METRIC

In this paper the radial solutions of the Dirac equation in a metric with spheroidal symmetry are given.It is shown that there exists no quantum bound states of Fermions about the Schwarzschild black hole.Some cases are discussed,one is a soliton wave of the temporal state,which provides a new insight for checking the existence of a black hole,the other is a solution of the stationary state which describes the accretion and vaporization of the black hole.